(3S,4E,7Z)-5-fluoro-2,3-dimethylundeca-4,7-dien-6-ol

C13H23FO — CID 58305038

IUPAC(3S,4E,7Z)-5-fluoro-2,3-dimethylundeca-4,7-dien-6-ol
SMILESCCC/C=C\C(O)/C(F)=C\[C@@H](C)C(C)C
InChIInChI=1S/C13H23FO/c1-5-6-7-8-13(15)12(14)9-11(4)10(2)3/h7-11,13,15H,5-6H2,1-4H3/b8-7-,12-9+/t11-,13?/m1/s1
InChIKeyUWHAZFZUAHYGFU-YUJOCQKGSA-N
MW214.32 g/mol
LogP3.85
Rot. Bonds6

About (3S,4E,7Z)-5-fluoro-2,3-dimethylundeca-4,7-dien-6-ol

(3S,4E,7Z)-5-fluoro-2,3-dimethylundeca-4,7-dien-6-ol (PubChem CID 58305038) has the molecular formula C13H23FO and a molecular weight of 214.32 g/mol. Its IUPAC name is (3S,4E,7Z)-5-fluoro-2,3-dimethylundeca-4,7-dien-6-ol.

Molecular Properties

Compound Name(3S,4E,7Z)-5-fluoro-2,3-dimethylundeca-4,7-dien-6-ol
PubChem CID58305038
Molecular FormulaC13H23FO
Molecular Weight214.32 g/mol
Exact Mass214.17
IUPAC Name(3S,4E,7Z)-5-fluoro-2,3-dimethylundeca-4,7-dien-6-ol
SMILESCCC/C=C\C(O)/C(F)=C\[C@@H](C)C(C)C
InChIInChI=1S/C13H23FO/c1-5-6-7-8-13(15)12(14)9-11(4)10(2)3/h7-11,13,15H,5-6H2,1-4H3/b8-7-,12-9+/t11-,13?/m1/s1
InChIKeyUWHAZFZUAHYGFU-YUJOCQKGSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4E,7Z)-5-fluoro-2,3-dimethylundeca-4,7-dien-6-ol?
The IUPAC name of (3S,4E,7Z)-5-fluoro-2,3-dimethylundeca-4,7-dien-6-ol (CID 58305038) is (3S,4E,7Z)-5-fluoro-2,3-dimethylundeca-4,7-dien-6-ol.
What is the SMILES notation for (3S,4E,7Z)-5-fluoro-2,3-dimethylundeca-4,7-dien-6-ol?
The canonical SMILES for (3S,4E,7Z)-5-fluoro-2,3-dimethylundeca-4,7-dien-6-ol is CCC/C=C\C(O)/C(F)=C\[C@@H](C)C(C)C.
What is the InChIKey of (3S,4E,7Z)-5-fluoro-2,3-dimethylundeca-4,7-dien-6-ol?
The InChIKey is UWHAZFZUAHYGFU-YUJOCQKGSA-N. The full InChI is InChI=1S/C13H23FO/c1-5-6-7-8-13(15)12(14)9-11(4)10(2)3/h7-11,13,15H,5-6H2,1-4H3/b8-7-,12-9+/t11-,13?/m1/s1.
What are the key properties of (3S,4E,7Z)-5-fluoro-2,3-dimethylundeca-4,7-dien-6-ol?
(3S,4E,7Z)-5-fluoro-2,3-dimethylundeca-4,7-dien-6-ol has a molecular weight of 214.32 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4E,7Z)-5-fluoro-2,3-dimethylundeca-4,7-dien-6-ol is sourced from PubChem (CID 58305038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).